data_1wja_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1wja _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 121.462 0.649 . . . . 1.11 109.619 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.2 mt -59.87 -40.69 89.51 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.466 -0.771 . . . . 1.19 109.987 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -60.16 -49.59 77.02 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.07 -1.019 . . . . 2.19 110.177 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.49 -38.26 90.52 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 109.613 -1.395 . . . . 0.42 109.613 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' A' ' 9' ' ' GLN . 82.1 mt -66.74 -40.23 85.55 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 121.354 -1.086 . . . . 1.1 109.789 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -56.36 -48.76 76.16 Favored 'General case' 0 C--N 1.291 -1.956 0 C-N-CA 119.438 -0.905 . . . . 1.9 109.348 -177.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -70.07 -44.91 68.13 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.239 -0.913 . . . . 2.88 110.265 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.402 ' HB2' ' SD ' ' A' ' 22' ' ' MET . . . -64.85 -31.6 72.91 Favored 'General case' 0 C--N 1.289 -2.057 0 N-CA-C 108.953 -0.758 . . . . 1.05 108.953 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 5' ' ' ILE . 63.1 tt0 -61.0 139.01 58.16 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 119.434 -0.906 . . . . 1.86 108.713 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.408 ' HG2' ' H ' ' A' ' 11' ' ' GLU . 16.9 tt0 -165.64 -177.0 4.15 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.229 -0.988 . . . . 2.42 108.98 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' GLU . 30.2 mt-10 -63.7 157.93 22.88 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-O 121.84 0.829 . . . . 2.49 109.689 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.428 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 79.5 t60 -70.03 71.78 0.4 Allowed 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.938 -0.764 . . . . 0.55 108.938 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 11' ' ' GLU . 48.0 mt-10 -92.25 -165.49 1.36 Allowed 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.892 -0.781 . . . . 2.24 108.892 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.446 ' O ' ' OG ' ' A' ' 17' ' ' SER . 61.8 mttt -69.39 -28.31 66.05 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.509 -0.745 . . . . 2.73 109.862 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -59.08 -34.68 72.26 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 108.277 -1.008 . . . . 1.09 108.277 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -61.03 -41.3 96.3 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 119.355 -0.938 . . . . 0.4 109.296 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 14' ' ' LYS . 80.2 p -61.5 -40.58 95.12 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.91 -1.119 . . . . 0.94 108.95 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.42 ' N ' ' HG ' ' A' ' 17' ' ' SER . 43.3 m-20 -100.47 88.07 3.55 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.763 -0.829 . . . . 1.97 108.763 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 60.5 p-90 -70.29 -23.02 62.79 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.494 -0.754 . . . . 0.65 110.416 -179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -63.72 -44.33 93.9 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.248 -0.908 . . . . 3.62 110.407 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.22 -39.68 75.97 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 108.146 -1.057 . . . . 1.16 108.146 -178.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.402 ' SD ' ' HB2' ' A' ' 8' ' ' ALA . 1.3 ttp -65.86 -43.19 89.14 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 119.324 -0.951 . . . . 1.46 109.639 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.22 -40.58 97.86 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.89 -1.131 . . . . 1.1 108.921 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -67.74 -39.91 84.2 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.595 0.712 . . . . 1.74 109.586 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.27 -44.92 96.45 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.475 0.655 . . . . 1.99 110.04 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -99.51 1.09 43.62 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.305 -0.872 . . . . 0.52 109.8 -178.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 23' ' ' ALA . 86.0 m-20 53.44 48.08 22.66 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.555 -0.716 . . . . 1.86 110.288 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.7 mt -116.25 150.77 45.87 Favored Pre-proline 0 N--CA 1.495 1.813 0 N-CA-C 107.909 -1.145 . . . . 1.11 107.909 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -66.98 151.39 82.18 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 121.268 1.312 . . . . 0.64 111.05 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -43.35 -23.33 0.44 Allowed 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 122.157 1.905 . . . . 0.87 112.042 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.3 t -55.06 -54.68 21.71 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 121.213 -0.929 . . . . 1.09 110.812 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.4 t -65.78 -44.67 92.98 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.036 0 C-N-CA 118.688 -1.205 . . . . 1.06 108.83 -178.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.28 99.08 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.426 -0.796 . . . . 1.05 109.734 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -64.42 -39.7 94.35 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.316 -0.865 . . . . 2.01 110.22 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -60.77 -40.09 91.24 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.302 -0.874 . . . . 1.34 109.237 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.57 -40.85 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.064 -1.023 . . . . 1.15 108.492 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.99 -39.64 85.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 N-CA-C 108.83 -0.804 . . . . 1.32 108.83 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.17 -31.41 70.93 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.639 -0.663 . . . . 1.2 110.589 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.3 m -75.72 -35.62 60.2 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.054 -1.028 . . . . 1.12 109.305 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.2 t -75.09 112.76 11.67 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.746 -1.205 . . . . 0.4 107.746 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -59.97 -40.28 88.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.332 -0.855 . . . . 1.24 110.318 -178.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -61.48 -40.88 96.13 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.154 -0.966 . . . . 2.5 110.689 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.8 m -74.33 -33.64 63.21 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.036 -1.04 . . . . 0.6 108.889 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -77.43 -75.22 0.22 Allowed 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.502 -0.749 . . . . 1.63 109.213 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.2 mt -70.93 137.56 49.32 Favored 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 118.512 -1.275 . . . . 1.41 107.89 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -93.82 -36.21 12.36 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-N 115.111 -0.95 . . . . 3.96 113.228 -175.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.142 0 C-N-CA 119.158 -1.496 . . . . 2.92 109.469 -176.601 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 121.482 0.658 . . . . 1.12 109.625 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 63.8 mt -60.35 -39.65 87.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.579 -0.7 . . . . 1.2 110.185 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -60.67 -50.03 75.13 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.134 -0.979 . . . . 2.18 109.814 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.05 -38.35 89.02 Favored Glycine 0 N--CA 1.488 2.14 0 N-CA-C 109.726 -1.35 . . . . 0.42 109.726 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 81.7 mt -66.78 -40.25 85.54 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.329 -1.101 . . . . 1.08 109.75 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -56.36 -48.76 76.17 Favored 'General case' 0 C--N 1.293 -1.889 0 C-N-CA 119.37 -0.932 . . . . 1.91 109.357 -177.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -69.92 -45.01 68.46 Favored 'General case' 0 C--N 1.296 -1.743 0 O-C-N 121.309 -0.87 . . . . 2.88 110.269 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.94 -31.54 72.83 Favored 'General case' 0 C--N 1.29 -2.011 0 N-CA-C 108.902 -0.777 . . . . 1.06 108.902 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -60.97 139.02 58.14 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 119.393 -0.923 . . . . 1.85 108.768 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.4 ' HG2' ' H ' ' B' ' 11' ' ' GLU . 17.0 tt0 -165.67 -176.99 4.14 Favored 'General case' 0 C--N 1.3 -1.565 0 C-N-CA 119.16 -1.016 . . . . 2.41 109.025 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.4 ' H ' ' HG2' ' B' ' 10' ' ' GLU . 30.4 mt-10 -63.62 157.96 22.52 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.418 -0.801 . . . . 2.53 109.732 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.419 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 79.6 t60 -70.03 71.72 0.4 Allowed 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 108.995 -0.743 . . . . 0.57 108.995 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' B' ' 11' ' ' GLU . 48.0 mt-10 -92.0 -165.04 1.27 Allowed 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.938 -0.764 . . . . 2.23 108.938 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.434 ' O ' ' OG ' ' B' ' 17' ' ' SER . 61.8 mttt -70.09 -27.85 64.94 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.573 -0.704 . . . . 2.71 109.772 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -59.41 -34.6 72.66 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.146 -1.057 . . . . 1.08 108.146 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -61.01 -41.41 96.49 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.179 -0.951 . . . . 0.41 109.262 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.443 ' HG ' ' N ' ' B' ' 18' ' ' ASN . 80.1 p -61.36 -40.94 96.12 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.863 -1.148 . . . . 0.95 108.83 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . 0.443 ' N ' ' HG ' ' B' ' 17' ' ' SER . 42.7 m-20 -100.18 87.79 3.54 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.412 -0.805 . . . . 1.96 109.027 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 60.5 p-90 -69.76 -23.25 63.35 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.562 -0.712 . . . . 0.64 110.664 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -63.44 -44.6 94.08 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.27 -0.893 . . . . 3.58 110.398 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.16 -39.73 75.84 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.163 -1.051 . . . . 1.15 108.163 -178.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 1.3 ttp -65.84 -43.17 89.28 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 119.422 -0.911 . . . . 1.46 109.589 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.31 -40.59 97.77 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.806 -1.184 . . . . 1.1 108.93 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -67.7 -39.91 84.38 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.564 -0.71 . . . . 1.69 109.598 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -44.98 96.45 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.403 0.62 . . . . 1.96 110.067 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -99.53 1.11 43.6 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.44 -0.788 . . . . 0.51 109.782 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' B' ' 23' ' ' ALA . 86.1 m-20 53.43 48.03 22.78 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.59 -0.694 . . . . 1.86 110.36 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 53.9 mt -116.26 150.75 45.83 Favored Pre-proline 0 N--CA 1.496 1.838 0 N-CA-C 107.93 -1.137 . . . . 1.11 107.93 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -66.82 151.35 82.54 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 121.365 1.377 . . . . 0.65 111.152 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -43.52 -23.16 0.47 Allowed 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.066 1.844 . . . . 0.89 112.041 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 94.7 t -55.13 -54.63 22.44 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 O-C-N 121.173 -0.955 . . . . 1.07 110.788 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 78.8 t -65.88 -44.6 92.61 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.008 0 C-N-CA 118.615 -1.234 . . . . 1.05 108.865 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.09 98.95 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.352 -0.842 . . . . 1.06 109.811 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -64.11 -40.28 95.86 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.349 -0.844 . . . . 2.02 110.18 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.5 -40.43 91.34 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.316 -0.865 . . . . 1.34 109.125 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.45 -40.94 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.085 -1.009 . . . . 1.15 108.478 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.85 -39.68 85.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 O-C-N 121.403 -0.81 . . . . 1.33 108.913 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.433 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -68.17 -31.44 70.99 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.592 -0.692 . . . . 1.2 110.498 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 33.2 m -75.67 -35.58 60.34 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.036 -1.04 . . . . 1.1 109.369 -179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 35.2 t -75.22 112.48 11.53 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.863 -1.162 . . . . 0.4 107.863 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -59.86 -39.67 86.0 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.371 -0.83 . . . . 1.21 110.725 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -61.93 -40.82 96.81 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.101 -0.999 . . . . 2.5 110.63 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 61.7 m -74.24 -33.73 63.43 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.113 -0.992 . . . . 0.6 108.925 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 16.0 tt0 -77.35 -75.85 0.2 Allowed 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 119.848 -0.741 . . . . 1.62 109.172 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 46.7 mt -69.87 138.18 52.31 Favored 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 118.498 -1.281 . . . . 1.4 108.111 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -94.54 -36.12 11.97 Favored 'General case' 0 C--N 1.293 -1.859 0 CA-C-N 115.152 -0.931 . . . . 3.97 113.193 -176.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.019 0 C-N-CA 119.173 -1.489 . . . . 2.92 109.447 -176.565 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 121.462 0.649 . . . . 0.51000000000000001 109.619 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.2 mt -59.87 -40.69 89.51 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.466 -0.771 . . . . 0.54000000000000004 109.987 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -60.16 -49.59 77.02 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.07 -1.019 . . . . 2.1899999999999999 110.177 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.49 -38.26 90.52 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 109.613 -1.395 . . . . 0.37 109.613 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.1 mt -66.74 -40.23 85.55 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 121.354 -1.086 . . . . 0.34999999999999998 109.789 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -56.36 -48.76 76.16 Favored 'General case' 0 C--N 1.291 -1.956 0 C-N-CA 119.438 -0.905 . . . . 1.8999999999999999 109.348 -177.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -70.07 -44.91 68.13 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.239 -0.913 . . . . 2.3900000000000001 110.265 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.579 ' HB1' ' SD ' ' A' ' 22' ' ' MET . . . -64.85 -31.6 72.91 Favored 'General case' 0 C--N 1.289 -2.057 0 N-CA-C 108.953 -0.758 . . . . 0.34000000000000002 108.953 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.0 139.01 58.16 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 119.434 -0.906 . . . . 1.3999999999999999 108.713 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' A' ' 11' ' ' GLU . 16.9 tt0 -165.64 -177.0 4.15 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.229 -0.988 . . . . 2.4199999999999999 108.98 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' GLU . 30.2 mt-10 -63.7 157.93 22.88 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-O 121.84 0.829 . . . . 2.4900000000000002 109.689 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.428 ' CD2' ' O ' ' A' ' 12' ' ' HIS . 79.5 t60 -70.03 71.78 0.4 Allowed 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.938 -0.764 . . . . 0.47999999999999998 108.938 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 11' ' ' GLU . 48.0 mt-10 -92.25 -165.49 1.36 Allowed 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.892 -0.781 . . . . 2.2400000000000002 108.892 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -69.39 -28.31 66.05 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.509 -0.745 . . . . 2.2599999999999998 109.862 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -59.08 -34.68 72.26 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 108.277 -1.008 . . . . 0.68999999999999995 108.277 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -61.03 -41.3 96.3 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 119.355 -0.938 . . . . 0.35999999999999999 109.296 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.2 p -61.5 -40.58 95.12 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.91 -1.119 . . . . 0.45000000000000001 108.95 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -100.47 88.07 3.55 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.763 -0.829 . . . . 1.1699999999999999 108.763 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 60.5 p-90 -70.29 -23.02 62.79 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.494 -0.754 . . . . 0.57999999999999996 110.416 -179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -63.72 -44.33 93.9 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.248 -0.908 . . . . 3.0800000000000001 110.407 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.22 -39.68 75.97 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 108.146 -1.057 . . . . 0.41999999999999998 108.146 -178.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.579 ' SD ' ' HB1' ' A' ' 8' ' ' ALA . 1.3 ttp -65.86 -43.19 89.14 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 119.324 -0.951 . . . . 0.78000000000000003 109.639 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.22 -40.58 97.86 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.89 -1.131 . . . . 0.32000000000000001 108.921 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -67.74 -39.91 84.2 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.595 0.712 . . . . 1.1899999999999999 109.586 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.27 -44.92 96.45 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.475 0.655 . . . . 1.99 110.04 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -99.51 1.09 43.62 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.305 -0.872 . . . . 0.42999999999999999 109.8 -178.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 23' ' ' ALA . 86.0 m-20 53.44 48.08 22.66 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.555 -0.716 . . . . 1.1299999999999999 110.288 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.7 mt -116.25 150.77 45.87 Favored Pre-proline 0 N--CA 1.495 1.813 0 N-CA-C 107.909 -1.145 . . . . 0.31 107.909 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -66.98 151.39 82.18 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 121.268 1.312 . . . . 0.38 111.05 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -43.35 -23.33 0.44 Allowed 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 122.157 1.905 . . . . 0.53000000000000003 112.042 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.3 t -55.06 -54.68 21.71 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 121.213 -0.929 . . . . 0.23999999999999999 110.812 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.4 t -65.78 -44.67 92.98 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.036 0 C-N-CA 118.688 -1.205 . . . . 0.17000000000000001 108.83 -178.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.28 99.08 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.426 -0.796 . . . . 0.23000000000000001 109.734 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -64.42 -39.7 94.35 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.316 -0.865 . . . . 1.4299999999999999 110.22 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -60.77 -40.09 91.24 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.302 -0.874 . . . . 1.3400000000000001 109.237 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.57 -40.85 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.064 -1.023 . . . . 0.39000000000000001 108.492 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.99 -39.64 85.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 N-CA-C 108.83 -0.804 . . . . 0.56000000000000005 108.83 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.17 -31.41 70.93 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.639 -0.663 . . . . 0.53000000000000003 110.589 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.3 m -75.72 -35.62 60.2 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.054 -1.028 . . . . 0.53000000000000003 109.305 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.2 t -75.09 112.76 11.67 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.746 -1.205 . . . . 0.40000000000000002 107.746 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -59.97 -40.28 88.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.332 -0.855 . . . . 1.24 110.318 -178.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -61.48 -40.88 96.13 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.154 -0.966 . . . . 2.02 110.689 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.8 m -74.33 -33.64 63.21 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.036 -1.04 . . . . 0.59999999999999998 108.889 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -77.43 -75.22 0.22 Allowed 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.502 -0.749 . . . . 1.3100000000000001 109.213 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.2 mt -70.93 137.56 49.32 Favored 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 118.512 -1.275 . . . . 0.88 107.89 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -93.82 -36.21 12.36 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-N 115.111 -0.95 . . . . 3.5699999999999998 113.228 -175.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.142 0 C-N-CA 119.158 -1.496 . . . . 2.3900000000000001 109.469 -176.601 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 121.482 0.658 . . . . 0.52000000000000002 109.625 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 63.8 mt -60.35 -39.65 87.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.579 -0.7 . . . . 0.51000000000000001 110.185 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -60.67 -50.03 75.13 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.134 -0.979 . . . . 2.1800000000000002 109.814 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.05 -38.35 89.02 Favored Glycine 0 N--CA 1.488 2.14 0 N-CA-C 109.726 -1.35 . . . . 0.37 109.726 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 81.7 mt -66.78 -40.25 85.54 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.329 -1.101 . . . . 0.33000000000000002 109.75 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -56.36 -48.76 76.17 Favored 'General case' 0 C--N 1.293 -1.889 0 C-N-CA 119.37 -0.932 . . . . 1.9099999999999999 109.357 -177.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -69.92 -45.01 68.46 Favored 'General case' 0 C--N 1.296 -1.743 0 O-C-N 121.309 -0.87 . . . . 2.3900000000000001 110.269 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.587 ' HB1' ' SD ' ' B' ' 22' ' ' MET . . . -64.94 -31.54 72.83 Favored 'General case' 0 C--N 1.29 -2.011 0 N-CA-C 108.902 -0.777 . . . . 0.33000000000000002 108.902 -179.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -60.97 139.02 58.14 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 119.393 -0.923 . . . . 1.4099999999999999 108.768 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.41 ' HG2' ' H ' ' B' ' 11' ' ' GLU . 17.0 tt0 -165.67 -176.99 4.14 Favored 'General case' 0 C--N 1.3 -1.565 0 C-N-CA 119.16 -1.016 . . . . 2.4100000000000001 109.025 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.41 ' H ' ' HG2' ' B' ' 10' ' ' GLU . 30.4 mt-10 -63.62 157.96 22.52 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.418 -0.801 . . . . 2.5299999999999998 109.732 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.419 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 79.6 t60 -70.03 71.72 0.4 Allowed 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 108.995 -0.743 . . . . 0.5 108.995 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' B' ' 11' ' ' GLU . 48.0 mt-10 -92.0 -165.04 1.27 Allowed 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.938 -0.764 . . . . 2.23 108.938 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -70.09 -27.85 64.94 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.573 -0.704 . . . . 2.2400000000000002 109.772 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -59.41 -34.6 72.66 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.146 -1.057 . . . . 0.68999999999999995 108.146 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -61.01 -41.41 96.49 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.179 -0.951 . . . . 0.35999999999999999 109.262 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 80.1 p -61.36 -40.94 96.12 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.863 -1.148 . . . . 0.45000000000000001 108.83 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -100.18 87.79 3.54 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.412 -0.805 . . . . 1.1599999999999999 109.027 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 60.5 p-90 -69.76 -23.25 63.35 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.562 -0.712 . . . . 0.56999999999999995 110.664 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -63.44 -44.6 94.08 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.27 -0.893 . . . . 3.04 110.398 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.16 -39.73 75.84 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.163 -1.051 . . . . 0.41999999999999998 108.163 -178.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.587 ' SD ' ' HB1' ' B' ' 8' ' ' ALA . 1.3 ttp -65.84 -43.17 89.28 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 119.422 -0.911 . . . . 0.78000000000000003 109.589 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.31 -40.59 97.77 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.806 -1.184 . . . . 0.31 108.93 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -67.7 -39.91 84.38 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.564 -0.71 . . . . 1.1399999999999999 109.598 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -44.98 96.45 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.403 0.62 . . . . 1.96 110.067 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -99.53 1.11 43.6 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.44 -0.788 . . . . 0.41999999999999998 109.782 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' B' ' 23' ' ' ALA . 86.1 m-20 53.43 48.03 22.78 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.59 -0.694 . . . . 1.1299999999999999 110.36 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 53.9 mt -116.26 150.75 45.83 Favored Pre-proline 0 N--CA 1.496 1.838 0 N-CA-C 107.93 -1.137 . . . . 0.31 107.93 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -66.82 151.35 82.54 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 121.365 1.377 . . . . 0.38 111.152 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -43.52 -23.16 0.47 Allowed 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.066 1.844 . . . . 0.55000000000000004 112.041 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 94.7 t -55.13 -54.63 22.44 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 O-C-N 121.173 -0.955 . . . . 0.23999999999999999 110.788 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 78.8 t -65.88 -44.6 92.61 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.008 0 C-N-CA 118.615 -1.234 . . . . 0.17999999999999999 108.865 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.09 98.95 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.352 -0.842 . . . . 0.22 109.811 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -64.11 -40.28 95.86 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.349 -0.844 . . . . 1.4299999999999999 110.18 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.5 -40.43 91.34 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.316 -0.865 . . . . 1.3400000000000001 109.125 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.45 -40.94 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.085 -1.009 . . . . 0.40000000000000002 108.478 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.85 -39.68 85.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 O-C-N 121.403 -0.81 . . . . 0.55000000000000004 108.913 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.17 -31.44 70.99 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.592 -0.692 . . . . 0.51000000000000001 110.498 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 33.2 m -75.67 -35.58 60.34 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.036 -1.04 . . . . 0.51000000000000001 109.369 -179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 35.2 t -75.22 112.48 11.53 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.863 -1.162 . . . . 0.40000000000000002 107.863 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -59.86 -39.67 86.0 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.371 -0.83 . . . . 1.21 110.725 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -61.93 -40.82 96.81 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.101 -0.999 . . . . 2.02 110.63 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 61.7 m -74.24 -33.73 63.43 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.113 -0.992 . . . . 0.59999999999999998 108.925 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -77.35 -75.85 0.2 Allowed 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 119.848 -0.741 . . . . 1.29 109.172 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 46.7 mt -69.87 138.18 52.31 Favored 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 118.498 -1.281 . . . . 0.85999999999999999 108.111 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -94.54 -36.12 11.97 Favored 'General case' 0 C--N 1.293 -1.859 0 CA-C-N 115.152 -0.931 . . . . 3.5800000000000001 113.193 -176.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.019 0 C-N-CA 119.173 -1.489 . . . . 2.3799999999999999 109.447 -176.565 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 121.462 0.649 . . . . 0.51 109.619 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.2 mt -59.87 -40.69 89.51 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.466 -0.771 . . . . 0.54 109.987 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -60.16 -49.59 77.02 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.07 -1.019 . . . . 2.19 110.177 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.49 -38.26 90.52 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 109.613 -1.395 . . . . 0.37 109.613 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.1 mt -66.74 -40.23 85.55 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 121.354 -1.086 . . . . 0.35 109.789 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -56.36 -48.76 76.16 Favored 'General case' 0 C--N 1.291 -1.956 0 C-N-CA 119.438 -0.905 . . . . 1.9 109.348 -177.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -70.07 -44.91 68.13 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.239 -0.913 . . . . 2.39 110.265 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.579 ' HB1' ' SD ' ' A' ' 22' ' ' MET . . . -64.85 -31.6 72.91 Favored 'General case' 0 C--N 1.289 -2.057 0 N-CA-C 108.953 -0.758 . . . . 0.34 108.953 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.0 139.01 58.16 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 119.434 -0.906 . . . . 1.4 108.713 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' A' ' 11' ' ' GLU . 16.9 tt0 -165.64 -177.0 4.15 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.229 -0.988 . . . . 2.42 108.98 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' GLU . 30.2 mt-10 -63.7 157.93 22.88 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-O 121.84 0.829 . . . . 2.49 109.689 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.428 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 79.5 t60 -70.03 71.78 0.4 Allowed 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.938 -0.764 . . . . 0.48 108.938 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 11' ' ' GLU . 48.0 mt-10 -92.25 -165.49 1.36 Allowed 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.892 -0.781 . . . . 2.24 108.892 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -69.39 -28.31 66.05 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.509 -0.745 . . . . 2.26 109.862 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -59.08 -34.68 72.26 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 108.277 -1.008 . . . . 0.69 108.277 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -61.03 -41.3 96.3 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 119.355 -0.938 . . . . 0.36 109.296 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.2 p -61.5 -40.58 95.12 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.91 -1.119 . . . . 0.45 108.95 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -100.47 88.07 3.55 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.763 -0.829 . . . . 1.17 108.763 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 60.5 p-90 -70.29 -23.02 62.79 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.494 -0.754 . . . . 0.58 110.416 -179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -63.72 -44.33 93.9 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.248 -0.908 . . . . 3.08 110.407 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.22 -39.68 75.97 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 108.146 -1.057 . . . . 0.42 108.146 -178.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.579 ' SD ' ' HB1' ' A' ' 8' ' ' ALA . 1.3 ttp -65.86 -43.19 89.14 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 119.324 -0.951 . . . . 0.78 109.639 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.22 -40.58 97.86 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.89 -1.131 . . . . 0.32 108.921 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -67.74 -39.91 84.2 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.595 0.712 . . . . 1.19 109.586 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.27 -44.92 96.45 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.475 0.655 . . . . 1.99 110.04 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -99.51 1.09 43.62 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.305 -0.872 . . . . 0.43 109.8 -178.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 23' ' ' ALA . 86.0 m-20 53.44 48.08 22.66 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.555 -0.716 . . . . 1.13 110.288 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.7 mt -116.25 150.77 45.87 Favored Pre-proline 0 N--CA 1.495 1.813 0 N-CA-C 107.909 -1.145 . . . . 0.31 107.909 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -66.98 151.39 82.18 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 121.268 1.312 . . . . 0.38 111.05 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -43.35 -23.33 0.44 Allowed 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 122.157 1.905 . . . . 0.53 112.042 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.3 t -55.06 -54.68 21.71 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 121.213 -0.929 . . . . 0.24 110.812 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.4 t -65.78 -44.67 92.98 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.036 0 C-N-CA 118.688 -1.205 . . . . 0.17 108.83 -178.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.28 99.08 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.426 -0.796 . . . . 0.23 109.734 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -64.42 -39.7 94.35 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.316 -0.865 . . . . 1.43 110.22 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -60.77 -40.09 91.24 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.302 -0.874 . . . . 1.34 109.237 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.57 -40.85 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.064 -1.023 . . . . 0.39 108.492 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.99 -39.64 85.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 N-CA-C 108.83 -0.804 . . . . 0.56 108.83 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.17 -31.41 70.93 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.639 -0.663 . . . . 0.53 110.589 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.3 m -75.72 -35.62 60.2 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.054 -1.028 . . . . 0.53 109.305 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.2 t -75.09 112.76 11.67 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.746 -1.205 . . . . 0.4 107.746 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -59.97 -40.28 88.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.332 -0.855 . . . . 1.24 110.318 -178.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -61.48 -40.88 96.13 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.154 -0.966 . . . . 2.02 110.689 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.8 m -74.33 -33.64 63.21 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.036 -1.04 . . . . 0.6 108.889 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -77.43 -75.22 0.22 Allowed 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.502 -0.749 . . . . 1.31 109.213 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.2 mt -70.93 137.56 49.32 Favored 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 118.512 -1.275 . . . . 0.88 107.89 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -93.82 -36.21 12.36 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-N 115.111 -0.95 . . . . 3.57 113.228 -175.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.142 0 C-N-CA 119.158 -1.496 . . . . 2.39 109.469 -176.601 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 121.482 0.658 . . . . 0.52 109.625 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 63.8 mt -60.35 -39.65 87.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.579 -0.7 . . . . 0.51 110.185 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -60.67 -50.03 75.13 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.134 -0.979 . . . . 2.18 109.814 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.05 -38.35 89.02 Favored Glycine 0 N--CA 1.488 2.14 0 N-CA-C 109.726 -1.35 . . . . 0.37 109.726 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 81.7 mt -66.78 -40.25 85.54 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.329 -1.101 . . . . 0.33 109.75 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -56.36 -48.76 76.17 Favored 'General case' 0 C--N 1.293 -1.889 0 C-N-CA 119.37 -0.932 . . . . 1.91 109.357 -177.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -69.92 -45.01 68.46 Favored 'General case' 0 C--N 1.296 -1.743 0 O-C-N 121.309 -0.87 . . . . 2.39 110.269 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.587 ' HB1' ' SD ' ' B' ' 22' ' ' MET . . . -64.94 -31.54 72.83 Favored 'General case' 0 C--N 1.29 -2.011 0 N-CA-C 108.902 -0.777 . . . . 0.33 108.902 -179.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -60.97 139.02 58.14 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 119.393 -0.923 . . . . 1.41 108.768 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.41 ' HG2' ' H ' ' B' ' 11' ' ' GLU . 17.0 tt0 -165.67 -176.99 4.14 Favored 'General case' 0 C--N 1.3 -1.565 0 C-N-CA 119.16 -1.016 . . . . 2.41 109.025 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.41 ' H ' ' HG2' ' B' ' 10' ' ' GLU . 30.4 mt-10 -63.62 157.96 22.52 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.418 -0.801 . . . . 2.53 109.732 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.419 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 79.6 t60 -70.03 71.72 0.4 Allowed 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 108.995 -0.743 . . . . 0.5 108.995 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' B' ' 11' ' ' GLU . 48.0 mt-10 -92.0 -165.04 1.27 Allowed 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.938 -0.764 . . . . 2.23 108.938 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -70.09 -27.85 64.94 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.573 -0.704 . . . . 2.24 109.772 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -59.41 -34.6 72.66 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.146 -1.057 . . . . 0.69 108.146 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -61.01 -41.41 96.49 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.179 -0.951 . . . . 0.36 109.262 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 80.1 p -61.36 -40.94 96.12 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.863 -1.148 . . . . 0.45 108.83 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -100.18 87.79 3.54 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.412 -0.805 . . . . 1.16 109.027 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 60.5 p-90 -69.76 -23.25 63.35 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.562 -0.712 . . . . 0.57 110.664 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -63.44 -44.6 94.08 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.27 -0.893 . . . . 3.04 110.398 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.16 -39.73 75.84 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.163 -1.051 . . . . 0.42 108.163 -178.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.587 ' SD ' ' HB1' ' B' ' 8' ' ' ALA . 1.3 ttp -65.84 -43.17 89.28 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 119.422 -0.911 . . . . 0.78 109.589 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.31 -40.59 97.77 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.806 -1.184 . . . . 0.31 108.93 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -67.7 -39.91 84.38 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.564 -0.71 . . . . 1.14 109.598 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -44.98 96.45 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.403 0.62 . . . . 1.96 110.067 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -99.53 1.11 43.6 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.44 -0.788 . . . . 0.42 109.782 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' B' ' 23' ' ' ALA . 86.1 m-20 53.43 48.03 22.78 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.59 -0.694 . . . . 1.13 110.36 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 53.9 mt -116.26 150.75 45.83 Favored Pre-proline 0 N--CA 1.496 1.838 0 N-CA-C 107.93 -1.137 . . . . 0.31 107.93 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -66.82 151.35 82.54 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 121.365 1.377 . . . . 0.38 111.152 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -43.52 -23.16 0.47 Allowed 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.066 1.844 . . . . 0.55 112.041 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 94.7 t -55.13 -54.63 22.44 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 O-C-N 121.173 -0.955 . . . . 0.24 110.788 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 78.8 t -65.88 -44.6 92.61 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.008 0 C-N-CA 118.615 -1.234 . . . . 0.18 108.865 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.09 98.95 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.352 -0.842 . . . . 0.22 109.811 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -64.11 -40.28 95.86 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.349 -0.844 . . . . 1.43 110.18 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.5 -40.43 91.34 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.316 -0.865 . . . . 1.34 109.125 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.45 -40.94 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.085 -1.009 . . . . 0.4 108.478 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.85 -39.68 85.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 O-C-N 121.403 -0.81 . . . . 0.55 108.913 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.433 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -68.17 -31.44 70.99 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.592 -0.692 . . . . 0.51 110.498 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 33.2 m -75.67 -35.58 60.34 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.036 -1.04 . . . . 0.51 109.369 -179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 35.2 t -75.22 112.48 11.53 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.863 -1.162 . . . . 0.4 107.863 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -59.86 -39.67 86.0 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.371 -0.83 . . . . 1.21 110.725 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -61.93 -40.82 96.81 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.101 -0.999 . . . . 2.02 110.63 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 61.7 m -74.24 -33.73 63.43 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.113 -0.992 . . . . 0.6 108.925 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 16.0 tt0 -77.35 -75.85 0.2 Allowed 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 119.848 -0.741 . . . . 1.29 109.172 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 46.7 mt -69.87 138.18 52.31 Favored 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 118.498 -1.281 . . . . 0.86 108.111 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -94.54 -36.12 11.97 Favored 'General case' 0 C--N 1.293 -1.859 0 CA-C-N 115.152 -0.931 . . . . 3.58 113.193 -176.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.019 0 C-N-CA 119.173 -1.489 . . . . 2.38 109.447 -176.565 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_